Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2477572 | 1.00 | SIGMAR1 (0.50) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL3680285 | 0.78 | TAAR1 (0.57) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL19899811 | 0.78 | SIGMAR1 (0.50) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL5594577 | 0.76 | SIGMAR1 (0.48) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL367519 | 0.76 | TRPA1 (0.48) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL28420192 | 0.76 | MAOA (0.48) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL2480450 | 0.74 | TAAR1 (0.47) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL2472922 | 0.73 | TAAR1 (0.50) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6387963 | 0.73 | SIGMAR1 (0.54) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6014619 | 0.72 | TAAR1 (0.48) | TAAR1CYP1A2CYP3A4CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3226851-A1 | ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER | Semmelweis University (HU) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016088111-A1 | ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER | SEMMELWEIS UNIVERSITY (HU) | 2016-06-09 | — | — | WO | disclosed |